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  1. Third-Parties
  2. MatprojStructure
  3. mp-23996

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-23996
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Be', 'H', 'S', 'O']
  • Chemical System: Be-H-O-S
  • Density: 1.662900567393249
  • Atomic Density: 0.10176140533236501
  • Unit Cell Volume: 353.76869926687493
  • Molar Volume: 5.917902509631193
  • Full Formula: Be2 H16 S2 O16
  • Reduced Formula: BeH8SO8
  • Formula Anonymous: ABC8D8
  • Spacegroup Number: 120
  • Spacegroup Symbol: I-4c2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -208.20258211
  • Final energy per atom: -5.783405058611112
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.